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3-[(4-BIPHENYLYL)-(4-TERT.-BUTYLPHENYL)-PHENYLMETHYL]-6-[(4-BIPHENYLYL)-(4-TERT.-BUTYLPHENYL)-METHYLENE]-1,4-CYCLOHEXADIENE;ISOMER-#1

View entire compound with spectra: 2 NMR

3-[(4-BIPHENYLYL)-(4-TERT.-BUTYLPHENYL)-PHENYLMETHYL]-6-[(4-BIPHENYLYL)-(4-TERT.-BUTYLPHENYL)-METHYLENE]-1,4-CYCLOHEXADIENE;ISOMER-#1
SpectraBase Compound ID LRuarhJEhUg
InChI InChI=1S/C58H54/c1-56(2,3)49-32-28-47(29-33-49)55(46-24-22-44(23-25-46)42-16-10-7-11-17-42)48-30-36-53(37-31-48)58(51-20-14-9-15-21-51,54-40-38-50(39-41-54)57(4,5)6)52-34-26-45(27-35-52)43-18-12-8-13-19-43/h7-41,53H,1-6H3/b55-48-
InChIKey WIPXPVVLFZPOPX-RRYZJWMJSA-N
Mol Weight 751.1 g/mol
Molecular Formula C58H54
Exact Mass 750.422552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkbZPR2YKc
Name 3-[(4-BIPHENYLYL)-(4-TERT.-BUTYLPHENYL)-PHENYLMETHYL]-6-[(4-BIPHENYLYL)-(4-TERT.-BUTYLPHENYL)-METHYLENE]-1,4-CYCLOHEXADIENE;ISOMER-#2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H54
InChI InChI=1S/C58H54/c1-56(2,3)49-32-28-47(29-33-49)55(46-24-22-44(23-25-46)42-16-10-7-11-17-42)48-30-36-53(37-31-48)58(51-20-14-9-15-21-51,54-40-38-50(39-41-54)57(4,5)6)52-34-26-45(27-35-52)43-18-12-8-13-19-43/h7-41,53H,1-6H3/b55-48-
InChIKey WIPXPVVLFZPOPX-RRYZJWMJSA-N
Literature Reference Author W.P.NEUMANN,A.PENENORY,U.STEWEN,M.LEHNIG
Literature Reference Citation J.AM.CHEM.SOC.,111,5845(1989)
Literature Reference DOI 10.1021/ja00197a053
Molecular Weight 751.067 g/mol
Solvent CDCl3
Source File Reference UWED10387